UCSF

ZINC40125618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 No

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Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.78 8.53 -61.33 1 7 -1 97 458.49 9
Lo Low (pH 4.5-6) 3.78 7.76 -19.58 2 7 0 94 459.498 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )